N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C23H22FN5O3S — CID 155761108

IUPACN-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILES[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cn(C3CC3)cn2)ccn1
InChIInChI=1S/C23H22FN5O3S/c1-14(2)18-9-16(24)10-19(15-6-7-26-21(8-15)25-3)20(18)11-22(30)28-33(31,32)23-12-29(13-27-23)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-2H3,(H,28,30)
InChIKeyOFZWGRKWUYRSBY-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.14
Rot. Bonds7

About N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155761108) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155761108
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC NameN-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILES[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cn(C3CC3)cn2)ccn1
InChIInChI=1S/C23H22FN5O3S/c1-14(2)18-9-16(24)10-19(15-6-7-26-21(8-15)25-3)20(18)11-22(30)28-33(31,32)23-12-29(13-27-23)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-2H3,(H,28,30)
InChIKeyOFZWGRKWUYRSBY-UHFFFAOYSA-N
XLogP4.14
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-4-(trifluoromethyl)pyridin-2-amine
CID 90406230
US9656955, Example 574
CID 90404667
US9656955, Example 405
CID 90404874
US9656955, Example 737
CID 90404929
US9656955, Example 396
CID 90404990
US9656955, Example 212
CID 90404992
5-fluoro-N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-4-(trifluoromethyl)pyridin-2-amine
CID 90405091
3-fluoro-N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-4-(trifluoromethyl)pyridin-2-amine
CID 90405385
US9656955, Example 388
CID 90405618
US9656955, Example 736
CID 90405675
US9656955, Example 178
CID 90405782
US9656955, Example 635
CID 90405795

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155761108) is N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is [C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cn(C3CC3)cn2)ccn1.
What is the InChIKey of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is OFZWGRKWUYRSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-14(2)18-9-16(24)10-19(15-6-7-26-21(8-15)25-3)20(18)11-22(30)28-33(31,32)23-12-29(13-27-23)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-2H3,(H,28,30).
What are the key properties of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 467.53 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155761108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).